Methyl 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
[CAS# 952182-33-1]

Identification

• Name: Methyl 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
• Synonyms: 1-(Toluene-4-sulfonyl)-5-trifluoromethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid methyl ester; Methyl 1-(toluene-4-sulfonyl)-5-(trifluoromethyl)-4-azaindole-2-carboxylate; Methyl 1-(toluene-4-sulphonyl)-5-(trifluoromethyl)-4-azaindole-2-carboxylate
• Molecular Formula: C₁₇H₁₃F₃N₂O₄S
• Molecular Weight: 398.36
• CAS Registry Number: 952182-33-1
• SMILES: Cc1ccc(cc1)S(=O)(=O)n2c3ccc(nc3cc2C(=O)OC)C(F)(F)F
• InChI: 1S/C17H13F3N2O4S/c1-10-3-5-11(6-4-10)27(24,25)22-13-7-8-15(17(18,19)20)21-12(13)9-14(22)16(23)26-2/h3-9H,1-2H3
• InChIKey: CZLQPAGXBATBGD-UHFFFAOYSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 512.756°C at 760 mmHg (Cal.)
• Flash point: 263.906°C (Cal.)
• Refractive index: 1.59 (Cal.)

Safety Data

• Safety Description: Harmful/Irritant